2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride

C19H31Cl2N3O2 — CID 119864242

IUPAC2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CN(Cc2cccc(CNC(=O)C3CCCC3N)c2)CCO1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-14-12-22(8-9-24-14)13-16-5-2-4-15(10-16)11-21-19(23)17-6-3-7-18(17)20;;/h2,4-5,10,14,17-18H,3,6-9,11-13,20H2,1H3,(H,21,23);2*1H
InChIKeyCFNMOHIVPDODFU-UHFFFAOYSA-N
MW404.38 g/mol
LogP2.49
Rot. Bonds5

About 2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride

2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119864242) has the molecular formula C19H31Cl2N3O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is 2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119864242
Molecular FormulaC19H31Cl2N3O2
Molecular Weight404.38 g/mol
Exact Mass403.18
IUPAC Name2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCC1CN(Cc2cccc(CNC(=O)C3CCCC3N)c2)CCO1.Cl.Cl
InChIInChI=1S/C19H29N3O2.2ClH/c1-14-12-22(8-9-24-14)13-16-5-2-4-15(10-16)11-21-19(23)17-6-3-7-18(17)20;;/h2,4-5,10,14,17-18H,3,6-9,11-13,20H2,1H3,(H,21,23);2*1H
InChIKeyCFNMOHIVPDODFU-UHFFFAOYSA-N
XLogP2.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081400
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide
CID 119864239
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119864301
(4R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 98798763
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119864258
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775473
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119864272
4,4-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pent-2-enamide
CID 72689925

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119864242) is 2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride is CC1CN(Cc2cccc(CNC(=O)C3CCCC3N)c2)CCO1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is CFNMOHIVPDODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.2ClH/c1-14-12-22(8-9-24-14)13-16-5-2-4-15(10-16)11-21-19(23)17-6-3-7-18(17)20;;/h2,4-5,10,14,17-18H,3,6-9,11-13,20H2,1H3,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride?
2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 404.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119864242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).